1-(benzotriazol-1-ylmethyl)-7-(ethoxymethyl)-3-phenyl-purine-2,6-dione

Systemtic Name: 1-(benzotriazol-1-ylmethyl)-7-(ethoxymethyl)-3-phenyl-purine-2,6-dione Openeye Name: 1-(benzotriazol-1-ylmethyl)-7-(ethoxymethyl)-3-phenyl-purine-2,6-dione CAS Name: 1-(1-benzotriazolylmethyl)-7-(ethoxymethyl)-3-phenylpurine-2,6-dione IUPAC Name: 1-(benzotriazol-1-ylmethyl)-7-(ethoxymethyl)-3-phenylpurine-2,6-dione Traditional Name: 1-(benzotriazol-1-ylmethyl)-7-(ethoxymethyl)-3-phenyl-xanthine Formula: C21H19N7O3 MolecularWeight: 417.42066

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H19N7O3/c1-2-31-14-25-12-22-19-18(25)20(29)26(21(30)28(19)15-8-4-3-5-9-15)13-27-17-11-7-6-10-16(17)23-24-27/h3-12H,2,13-14H2,1H3